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1824126-87-5 | 4-(1-METHYL-1H-IMIDAZOL-5-YL)THIOPHENE-2-CARBALDEHYDE
CAS No: 1824126-87-5 Catalog No: AG01BHTQ MDL No:MFCD22410573
Product Description
Catalog Number:
AG01BHTQ
Chemical Name:
4-(1-METHYL-1H-IMIDAZOL-5-YL)THIOPHENE-2-CARBALDEHYDE
CAS Number:
1824126-87-5
Molecular Formula:
C9H8N2OS
Molecular Weight:
192.2376
MDL Number:
MFCD22410573
IUPAC Name:
4-(3-methylimidazol-4-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C9H8N2OS/c1-11-6-10-3-9(11)7-2-8(4-12)13-5-7/h2-6H,1H3
InChI Key:
QSVRDYKGDPDWMB-UHFFFAOYSA-N
SMILES:
O=Cc1scc(c1)c1cncn1C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.236g/mol
Monoisotopic Mass:
192.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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